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478039-80-4 | 4,5-dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
CAS No: 478039-80-4 Catalog No: AG00IOS9 MDL No:MFCD02186406
Product Description
Catalog Number:
AG00IOS9
Chemical Name:
4,5-dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
CAS Number:
478039-80-4
Molecular Formula:
C12H11N3O3S
Molecular Weight:
277.2990
MDL Number:
MFCD02186406
IUPAC Name:
4,5-dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
InChI:
InChI=1S/C12H11N3O3S/c1-17-9-3-7(5-13)8(4-10(9)18-2)15-11(16)6-14-12(15)19/h3-4H,6H2,1-2H3,(H,14,19)
InChI Key:
KXADPBLNEZJWHX-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)C#N)N1C(=S)NCC1=O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.298g/mol
Monoisotopic Mass:
277.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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